[(E)-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)amino] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [(E)-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)amino] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [(E)-(1-cyano-2-ethoxy-2-oxo-ethylidene)amino] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino] ester IUPAC Name: [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [(E)-(1-cyano-2-ethoxy-2-keto-ethylidene)amino] ester Formula: C18H21N3O6 MolecularWeight: 375.37584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NOC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)C#N

Isomeric SMILES

CCOC(=O)/C(=N/OC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)/C#N

InChI

InChI=1S/C18H21N3O6/c1-4-25-16(22)14(10-19)21-27-17(23)15(12(2)3)20-18(24)26-11-13-8-6-5-7-9-13/h5-9,12,15H,4,11H2,1-3H3,(H,20,24)/b21-14+